SCHEMBL7999323

SCHEMBL7999323

COc1ccc(-c2[nH]c3ccccc3c2CCNCCc2ccc(N)cc2)cc1OC

nearest known ligand 0.89

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.52
TLR7 Q9NYK1 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7997254 0.82 HTR6 (0.53) TLR8TLR7
SCHEMBL7763144 0.77
SCHEMBL29555356 0.76 TLR8 (0.67) TLR8TLR7
SCHEMBL8694550 0.75 TLR8 (0.53) TLR8TLR7
SCHEMBL8154993 0.72
SCHEMBL29556420 0.71 TLR7 (0.58) TLR8TLR7
SCHEMBL13344551 0.70 SLC2A1 (0.87)
Hydrochloric Acid SCHEMBL29555373 0.70 TLR7 (0.57) TLR8TLR7
Hydrochloric Acid SCHEMBL7279840 0.70 SLC2A1 (0.72)
Hydrochloric Acid SCHEMBL5103104 0.69 SLC2A1 (0.90)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0868178-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2000-03-29 EP claimed
EP-0868178-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 1998-10-07 EP claimed
WO-1997021435-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-06-19 WO claimed